Gomes Ligia R, de Souza Marcus V N, Da Costa Cristiane F, Wardell James L, Low John Nicolson
REQUIMTE, Departamento de Química e Bioquímica, Faculdade de Ciências da Universidade do Porto, Rua do Campo Alegre, 687, P-4169-007, Porto, Portugal.
FP-ENAS-Faculdade de Ciências de Saúde, Escola Superior de Saúde da UFP, Universidade Fernando Pessoa, Rua Carlos da Maia, 296, P-4200-150 Porto, Portugal.
Acta Crystallogr E Crystallogr Commun. 2018 Oct 9;74(Pt 11):1553-1560. doi: 10.1107/S2056989018014020. eCollection 2018 Nov 1.
The crystal structures of four ()-meth-oxy-benzaldehyde oxime derivatives, namely (2-meth-oxy-benzaldehyde oxime, , 2,3-di-meth-oxy-benzaldehyde oxime, , 4-di-meth-oxy-benzaldehyde oxime, , and 2,5-di-meth-oxy-benzaldehyde oxime, , are discussed. The arrangements of the 2-meth-oxy group and the H atom of the oxime unit are in compounds -, but in both independent mol-ecules of compound , the arrangements are . There is also a difference in the conformation of the two mol-ecules in , involving the orientations of the 2- and 5-meth-oxy groups. The primary inter-molecular O-H(oxime)⋯O(hy-droxy) hydrogen bonds generate (3) chains in and . In contrast, in compound , the O-H(oxime)⋯O(hy-droxy) hydrogen bonds generate symmetric (6) dimers. A more complex dimer is generated in from the O-H(oxime)⋯O(hy-droxy) and C-H(2-meth-oxy)⋯O(hy-droxy) hydrogen bonds. In all cases, further inter-actions, C-H⋯O and C-H⋯π or π-π, generate three-dimensional arrays. Hirshfeld surface and fingerprint analyses are discussed.
讨论了四种（）-甲氧基苯甲醛肟衍生物的晶体结构，即2-甲氧基苯甲醛肟、2,3-二甲氧基苯甲醛肟、4-二甲氧基苯甲醛肟和2,5-二甲氧基苯甲醛肟。在化合物-中，肟单元的2-甲氧基基团和H原子的排列方式为，但在化合物的两个独立分子中，排列方式为。中两个分子的构象也存在差异，涉及2-和5-甲氧基的取向。主要的分子间O-H（肟）⋯O（羟基）氢键在和中生成（3）链。相比之下，在化合物中，O-H（肟）⋯O（羟基）氢键生成对称的（6）二聚体。中由O-H（肟）⋯O（羟基）和C-H（2-甲氧基）⋯O（羟基）氢键生成更复杂的二聚体。在所有情况下，进一步的相互作用，C-H⋯O和C-H⋯π或π-π，生成三维阵列。讨论了 Hirshfeld 表面和指纹分析。
